CID 3651141

501116-39-8

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=C(C=C(C=C1)Cl)C2=NOC(=C2)N
InChI
InChI=1S/C10H9ClN2O2/c1-14-9-3-2-6(11)4-7(9)8-5-10(12)15-13-8/h2-5H,12H2,1H3
InChIKey
XSDMZCDURCSVFW-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methoxyphenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

224.03525 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 146.0
[M+Na]+ 247.02447 157.0
[M-H]- 223.02797 152.5
[M+NH4]+ 242.06907 164.2
[M+K]+ 262.99841 153.8
[M+H-H2O]+ 207.03251 139.5
[M+HCOO]- 269.03345 166.4
[M+CH3COO]- 283.04910 188.0
[M+Na-2H]- 245.00992 151.1
[M]+ 224.03470 149.9
[M]- 224.03580 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe